#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly n SER 2 N 0.00 1.93 0.10 1.61 2.88 -1.26 -4.65 113.62 114.24 2dly n SER 2 Ca 0.00 0.36 -0.14 0.00 -1.33 0.00 0.00 58.87 57.76 2dly n SER 2 Cb 0.00 -0.78 -0.07 0.00 -0.75 0.00 0.00 64.21 62.62 2dly n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dly h SER 3 N -1.00 -1.15 -4.12 -3.46 0.02 -2.11 -3.48 113.55 98.24 2dly h SER 3 Ca -0.17 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2dly h SER 3 Cb 1.10 0.44 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2dly h SER 3 CO -0.10 -0.46 -0.60 0.61 -1.14 0.00 0.00 176.83 175.14 2dly n GLY 4 N -1.45 -4.27 3.93 -3.77 0.00 -1.26 -5.00 105.19 93.38 2dly n GLY 4 Ca -0.07 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 2dly n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dly s SER 5 N -2.19 6.37 -1.27 1.61 0.01 -1.26 -5.02 113.70 111.95 2dly s SER 5 Ca 0.00 0.38 -0.17 0.00 1.31 0.00 0.00 55.95 57.47 2dly s SER 5 Cb 0.00 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.33 2dly s SER 5 CO 0.00 -0.08 1.65 -0.24 0.41 0.00 0.00 173.24 174.98 2dly n SER 6 N -0.88 5.02 -0.15 2.44 2.88 -1.26 -4.45 113.62 117.23 2dly n SER 6 Ca -0.05 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 2dly n SER 6 Cb 0.54 -1.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2dly n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dly n GLY 7 N 4.97 -0.49 3.89 0.46 0.00 -1.26 -5.10 105.19 107.66 2dly n GLY 7 Ca 0.45 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2dly n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 8 N 0.00 3.85 0.47 4.61 0.00 -1.26 -4.99 121.76 124.43 2dly s ALA 8 Ca 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 51.96 51.49 2dly s ALA 8 Cb 0.00 -2.07 1.07 0.00 0.00 0.00 0.00 23.12 22.13 2dly s ALA 8 CO 0.00 0.66 2.11 1.05 0.00 0.00 0.00 175.76 179.58 2dly h GLU 9 N 3.76 0.26 -1.35 0.00 4.11 -2.00 -1.83 114.58 117.54 2dly h GLU 9 Ca -0.49 -0.02 -0.36 0.00 0.07 0.00 0.00 59.36 58.56 2dly h GLU 9 Cb 1.19 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.22 2dly h GLU 9 CO 0.68 0.17 0.47 -0.25 0.07 0.00 0.00 179.01 180.14 2dly n ASP 10 N -4.51 6.00 0.00 3.06 8.00 -1.26 -4.71 116.55 123.13 2dly n ASP 10 Ca 0.00 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.38 2dly n ASP 10 Cb 0.08 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 2dly n ASP 10 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2dly n ARG 11 N 0.03 0.00 0.24 -1.24 0.63 -0.69 0.93 116.66 116.56 2dly n ARG 11 Ca 0.35 0.82 0.14 0.00 -0.92 0.00 0.00 57.85 58.24 2dly n ARG 11 Cb 0.71 -1.44 0.41 0.00 0.45 0.00 0.00 32.46 32.59 2dly n ARG 11 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2dly h SER 12 N 0.00 0.00 0.56 6.15 0.02 -1.88 -3.03 113.55 115.37 2dly h SER 12 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2dly h SER 12 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2dly h SER 12 CO 0.00 0.05 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.22 2dly h LEU 13 N 0.00 0.00 -2.14 5.07 3.38 -1.66 -2.82 115.31 117.14 2dly h LEU 13 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dly h LEU 13 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dly h LEU 13 CO 0.01 0.45 0.29 0.06 0.09 0.00 0.00 178.44 179.34 2dly h GLN 14 N 0.00 0.00 0.00 1.13 3.07 0.68 0.29 115.11 120.29 2dly h GLN 14 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.49 2dly h GLN 14 Cb 0.85 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.37 2dly h GLN 14 CO 0.06 0.00 -1.37 0.00 0.09 0.00 0.00 178.83 177.61 2dly h ALA 15 N 1.48 0.58 -2.26 0.06 0.00 -1.71 -3.46 119.26 113.94 2dly h ALA 15 Ca 0.03 -1.19 -0.58 0.00 0.00 0.00 0.00 54.91 53.16 2dly h ALA 15 Cb 0.62 0.19 0.06 0.00 0.00 0.00 0.00 17.79 18.65 2dly h ALA 15 CO -0.00 1.41 0.80 0.39 0.00 0.00 0.00 179.25 181.86 2dly n GLU 16 N -3.18 2.15 -0.11 0.00 -0.58 0.10 -4.90 120.64 114.12 2dly n GLU 16 Ca -0.09 0.77 -0.13 0.00 -0.42 0.00 0.00 57.16 57.29 2dly n GLU 16 Cb 0.99 -2.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.29 2dly n GLU 16 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dly h PRO 17 N 6.01 0.87 0.00 3.49 0.13 -1.90 -2.88 132.00 137.71 2dly h PRO 17 Ca -0.45 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 2dly h PRO 17 Cb 1.25 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dly h PRO 17 CO 0.89 1.10 0.00 0.11 -0.23 0.00 0.00 178.00 179.87 2dly h TRP 18 N 0.67 0.00 -3.36 1.56 5.08 -1.82 -3.43 115.95 114.65 2dly h TRP 18 Ca 0.06 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.46 2dly h TRP 18 Cb 0.94 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.04 2dly h TRP 18 CO 0.07 0.00 0.14 0.12 -1.28 0.00 0.00 178.44 177.48 2dly s PHE 19 N -3.39 3.53 -0.31 0.12 5.36 -1.09 0.52 117.98 122.73 2dly s PHE 19 Ca 0.03 1.21 0.13 0.00 -0.96 0.00 0.00 56.93 57.34 2dly s PHE 19 Cb 0.09 -2.83 0.47 0.00 -0.34 0.00 0.00 43.02 40.41 2dly s PHE 19 CO 0.40 0.01 1.12 1.19 -1.46 0.00 0.00 175.22 176.48 2dly n PHE 20 N 4.16 2.15 0.00 10.12 3.01 -0.65 -4.88 117.46 131.37 2dly n PHE 20 Ca -0.00 -2.39 0.00 0.00 1.01 0.00 0.00 57.45 56.06 2dly n PHE 20 Cb 0.51 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 2dly n PHE 20 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dly n GLY 21 N -0.56 2.65 3.11 1.37 0.00 -1.26 -3.69 105.19 106.82 2dly n GLY 21 Ca 0.27 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 2dly n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 22 N -1.07 3.10 0.21 4.61 0.00 -1.26 0.75 121.76 128.10 2dly s ALA 22 Ca 0.00 -2.47 0.05 0.00 0.00 0.00 0.00 51.96 49.54 2dly s ALA 22 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 2dly s ALA 22 CO 0.00 -1.74 -0.07 0.96 0.00 0.00 0.00 175.76 174.91 2dly s ILE 23 N 1.12 1.33 0.29 0.00 -4.36 -1.24 -4.87 121.20 113.48 2dly s ILE 23 Ca 0.07 -2.09 -0.05 0.00 -0.26 0.00 0.00 60.65 58.32 2dly s ILE 23 Cb -0.22 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 2dly s ILE 23 CO -0.04 -0.48 0.56 -0.54 0.24 0.00 0.00 174.94 174.67 2dly s LYS 24 N -3.76 3.64 0.57 0.37 1.02 -1.26 -4.64 119.74 115.67 2dly s LYS 24 Ca 0.24 0.02 0.35 0.00 0.02 0.00 0.00 55.97 56.60 2dly s LYS 24 Cb 0.03 -2.64 1.46 0.00 -0.52 0.00 0.00 37.83 36.16 2dly s LYS 24 CO 0.07 0.21 1.73 0.07 -0.92 0.00 0.00 175.35 176.51 2dly h ARG 25 N 1.68 0.00 -0.12 1.68 0.11 -1.98 0.30 114.38 116.05 2dly h ARG 25 Ca -0.48 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 2dly h ARG 25 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 2dly h ARG 25 CO 0.66 0.00 -0.06 0.00 0.10 0.00 0.00 179.97 180.67 2dly h ALA 26 N 1.25 0.17 -0.09 0.08 0.00 -1.98 0.41 119.26 119.10 2dly h ALA 26 Ca 0.51 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2dly h ALA 26 Cb 2.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 2dly h ALA 26 CO -0.01 -0.04 -0.42 0.22 0.00 0.00 0.00 179.25 179.01 2dly h ASP 27 N -0.09 0.20 0.15 0.00 3.58 -0.84 -2.44 116.42 116.98 2dly h ASP 27 Ca 0.03 -0.08 -0.27 0.00 0.42 0.00 0.00 57.03 57.13 2dly h ASP 27 Cb 0.52 -0.06 0.03 0.00 1.72 0.00 0.00 39.33 41.55 2dly h ASP 27 CO 0.02 0.60 -1.13 0.00 -2.88 0.00 0.00 179.24 175.85 2dly h ALA 28 N 1.41 -0.06 0.90 -0.78 0.00 -1.14 -3.26 119.26 116.32 2dly h ALA 28 Ca 0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 2dly h ALA 28 Cb 0.81 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2dly h ALA 28 CO 0.06 0.57 -0.45 0.93 0.00 0.00 0.00 179.25 180.36 2dly h GLU 29 N 0.04 -1.19 -1.29 0.00 5.08 -0.14 -1.72 114.58 115.36 2dly h GLU 29 Ca -0.18 0.08 0.38 0.00 -1.00 0.00 0.00 59.36 58.63 2dly h GLU 29 Cb 1.85 0.27 -0.08 0.00 0.50 0.00 0.00 28.75 31.29 2dly h GLU 29 CO 0.21 -0.79 0.88 0.87 -1.00 0.00 0.00 179.01 179.19 2dly h LYS 30 N -1.23 0.12 -0.11 2.33 1.57 -1.59 0.86 116.57 118.51 2dly h LYS 30 Ca -0.12 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.43 2dly h LYS 30 Cb 0.95 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.24 2dly h LYS 30 CO 0.19 0.08 -0.80 1.96 -0.57 0.00 0.00 179.45 180.31 2dly h GLN 31 N 0.12 0.64 0.09 3.15 1.08 -1.48 -2.98 115.11 115.73 2dly h GLN 31 Ca 0.68 -0.55 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2dly h GLN 31 Cb 2.35 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.90 2dly h GLN 31 CO -0.18 1.17 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.76 2dly h LEU 32 N 0.43 -0.10 -0.92 1.46 3.38 0.14 -3.16 115.31 116.54 2dly h LEU 32 Ca -0.06 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2dly h LEU 32 Cb 1.42 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2dly h LEU 32 CO 0.15 0.55 0.14 0.18 0.09 0.00 0.00 178.44 179.55 2dly n LEU 33 N -4.83 0.36 -4.09 1.67 4.77 0.99 -4.72 117.00 111.15 2dly n LEU 33 Ca -0.08 0.61 -0.37 0.00 -0.03 0.00 0.00 56.01 56.14 2dly n LEU 33 Cb 0.29 -0.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.84 2dly n LEU 33 CO 0.26 -0.73 -1.54 0.00 -1.33 0.00 0.00 177.39 174.05 2dly n TYR 34 N -2.00 -1.70 -0.02 -1.77 9.36 -1.13 -4.95 117.16 114.95 2dly n TYR 34 Ca -0.01 0.44 -0.00 0.00 3.32 0.00 0.00 57.90 61.65 2dly n TYR 34 Cb 0.16 -1.45 -0.00 0.00 -0.63 0.00 0.00 39.34 37.42 2dly n TYR 34 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2dly h SER 35 N -1.33 0.00 -1.17 2.98 4.64 -1.89 -3.33 113.55 113.45 2dly h SER 35 Ca -0.44 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.22 2dly h SER 35 Cb 1.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.42 2dly h SER 35 CO 0.27 0.19 1.20 -0.62 -0.87 0.00 0.00 176.83 176.99 2dly n GLU 36 N -2.97 0.01 -3.28 4.77 -0.58 -1.26 -4.24 120.64 113.10 2dly n GLU 36 Ca -0.01 0.98 -0.35 0.00 -0.42 0.00 0.00 57.16 57.36 2dly n GLU 36 Cb 0.02 -2.39 -0.06 0.00 -0.57 0.00 0.00 31.44 28.45 2dly n GLU 36 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2dly s ASN 37 N -3.51 6.89 0.39 1.62 0.01 -1.25 -5.09 114.94 114.00 2dly s ASN 37 Ca -0.03 1.18 0.05 0.00 -0.71 0.00 0.00 52.86 53.34 2dly s ASN 37 Cb 0.16 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 2dly s ASN 37 CO 0.53 0.07 0.17 0.00 -1.51 0.00 0.00 177.10 176.36 2dly s GLN 38 N -1.99 1.89 -0.40 -0.60 -2.07 -1.26 -4.82 119.66 110.41 2dly s GLN 38 Ca 0.40 -2.14 -0.39 0.00 -1.82 0.00 0.00 55.36 51.41 2dly s GLN 38 Cb -0.15 -0.38 -0.14 0.00 -1.09 0.00 0.00 33.01 31.24 2dly s GLN 38 CO 0.20 -0.53 2.16 2.41 -1.32 0.00 0.00 175.29 178.21 2dly n THR 39 N -0.85 0.12 0.00 3.63 -1.04 -1.26 -1.68 114.28 113.21 2dly n THR 39 Ca -0.03 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2dly n THR 39 Cb 0.64 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 2dly n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dly n GLY 40 N 6.86 2.38 3.72 3.41 0.00 -0.17 -4.90 105.19 116.49 2dly n GLY 40 Ca 0.46 -0.31 -0.59 0.00 0.00 0.00 0.00 46.02 45.59 2dly n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly n ALA 41 N 0.00 -0.36 -2.52 4.61 0.00 -0.67 -3.72 120.51 117.85 2dly n ALA 41 Ca 0.00 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 2dly n ALA 41 Cb 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.15 2dly n ALA 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dly s PHE 42 N 3.45 1.79 -0.22 0.00 -0.71 -0.55 -0.53 117.98 121.20 2dly s PHE 42 Ca 0.99 -0.43 -0.16 0.00 -1.04 0.00 0.00 56.93 56.29 2dly s PHE 42 Cb -1.13 -0.96 0.06 0.00 -1.21 0.00 0.00 43.02 39.79 2dly s PHE 42 CO 0.68 0.23 0.57 -0.48 -1.34 0.00 0.00 175.22 174.88 2dly s LEU 43 N -2.08 -0.38 0.05 -1.99 0.05 0.12 0.87 118.68 115.31 2dly s LEU 43 Ca 0.08 1.19 0.02 0.00 0.05 0.00 0.00 54.13 55.47 2dly s LEU 43 Cb -0.09 1.93 -0.04 0.00 -2.05 0.00 0.00 46.19 45.94 2dly s LEU 43 CO 0.05 -0.21 0.09 -0.63 -0.55 0.00 0.00 176.35 175.10 2dly s ILE 44 N 0.96 4.67 0.14 1.48 1.09 0.19 -0.07 121.20 129.67 2dly s ILE 44 Ca -0.05 -0.63 -0.07 0.00 -1.10 0.00 0.00 60.65 58.80 2dly s ILE 44 Cb -0.05 -3.22 -0.02 0.00 -1.06 0.00 0.00 42.46 38.11 2dly s ILE 44 CO -0.09 0.19 0.21 0.00 -0.10 0.00 0.00 174.94 175.16 2dly s ARG 45 N -2.21 1.05 0.09 2.79 1.70 -0.62 -1.63 118.95 120.11 2dly s ARG 45 Ca 0.28 -1.20 -0.21 0.00 -0.47 0.00 0.00 55.73 54.12 2dly s ARG 45 Cb -0.12 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.53 2dly s ARG 45 CO 0.20 -0.36 0.63 -1.21 -1.08 0.00 0.00 175.30 173.49 2dly s GLU 46 N -3.97 4.32 0.32 3.89 2.02 0.23 -0.72 118.70 124.79 2dly s GLU 46 Ca 0.17 0.86 -0.28 0.00 0.02 0.00 0.00 54.97 55.74 2dly s GLU 46 Cb 0.05 -3.26 -0.13 0.00 0.10 0.00 0.00 34.13 30.88 2dly s GLU 46 CO -0.01 0.58 1.11 0.45 0.02 0.00 0.00 175.26 177.41 2dly n SER 47 N 1.83 1.84 -0.07 -0.19 2.88 -1.18 -4.00 113.62 114.74 2dly n SER 47 Ca -0.08 1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 58.52 2dly n SER 47 Cb 0.50 -1.36 -0.10 0.00 -0.75 0.00 0.00 64.21 62.49 2dly n SER 47 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2dly h GLU 48 N 2.17 0.00 -1.13 -1.46 4.57 -1.95 -3.33 114.58 113.45 2dly h GLU 48 Ca -0.42 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.46 2dly h GLU 48 Cb 1.32 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.75 2dly h GLU 48 CO 0.61 0.81 0.38 0.45 -1.18 0.00 0.00 179.01 180.08 2dly n SER 49 N -4.62 4.27 -3.52 1.04 2.88 -1.26 -4.87 113.62 107.54 2dly n SER 49 Ca -0.10 -2.93 -0.08 0.00 -1.33 0.00 0.00 58.87 54.44 2dly n SER 49 Cb 0.41 -0.78 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 2dly n SER 49 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dly s GLN 50 N -1.81 0.73 -0.14 -1.46 0.74 -1.25 -5.16 119.66 111.31 2dly s GLN 50 Ca 0.31 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.49 2dly s GLN 50 Cb 0.26 0.34 0.01 0.00 1.10 0.00 0.00 33.01 34.72 2dly s GLN 50 CO 0.04 -0.32 -0.19 0.21 -0.55 0.00 0.00 175.29 174.48 2dly s LYS 51 N -2.93 2.74 0.00 1.67 2.47 -1.26 -4.31 119.74 118.12 2dly s LYS 51 Ca 0.05 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 2dly s LYS 51 Cb -0.01 -2.29 0.00 0.00 -1.46 0.00 0.00 37.83 34.07 2dly s LYS 51 CO -0.08 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 175.76 2dly n GLY 52 N 4.27 3.11 3.46 5.54 0.00 -1.26 -5.08 105.19 115.23 2dly n GLY 52 Ca -0.20 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 2dly n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dly s ASP 53 N 0.00 0.18 0.10 1.61 1.01 -1.26 -4.93 116.67 113.38 2dly s ASP 53 Ca 0.00 0.87 -0.18 0.00 0.71 0.00 0.00 52.55 53.94 2dly s ASP 53 Cb 0.00 -1.26 0.04 0.00 1.01 0.00 0.00 42.92 42.72 2dly s ASP 53 CO 0.00 -4.61 0.45 -0.36 0.21 0.00 0.00 175.17 170.87 2dly s PHE 54 N -2.63 -0.30 -0.04 4.23 0.40 -1.25 -3.08 117.98 115.31 2dly s PHE 54 Ca 0.69 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 57.16 2dly s PHE 54 Cb -0.14 0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.71 2dly s PHE 54 CO 0.58 -0.69 -0.12 -1.12 0.70 0.00 0.00 175.22 174.56 2dly s SER 55 N -2.53 1.62 -0.43 1.36 0.01 0.10 -1.78 113.70 112.07 2dly s SER 55 Ca -0.00 -0.26 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 2dly s SER 55 Cb 0.01 -0.48 0.05 0.00 0.21 0.00 0.00 66.02 65.81 2dly s SER 55 CO -0.09 0.09 0.31 -0.22 0.41 0.00 0.00 173.24 173.74 2dly s LEU 56 N 0.19 5.22 -0.33 2.44 2.96 -0.71 -1.59 118.68 126.87 2dly s LEU 56 Ca -0.05 -1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 52.55 2dly s LEU 56 Cb -0.10 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2dly s LEU 56 CO 0.01 -0.52 0.32 -0.55 -1.32 0.00 0.00 176.35 174.30 2dly s SER 57 N 2.05 6.15 0.15 3.68 0.15 0.91 -1.87 113.70 124.91 2dly s SER 57 Ca 0.04 -0.18 0.10 0.00 0.70 0.00 0.00 55.95 56.61 2dly s SER 57 Cb -0.22 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2dly s SER 57 CO 0.07 -0.27 -0.24 -0.69 1.20 0.00 0.00 173.24 173.30 2dly s VAL 58 N 1.95 2.15 -0.18 4.45 1.01 -1.19 0.11 120.40 128.70 2dly s VAL 58 Ca 0.11 -1.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.20 2dly s VAL 58 Cb -0.17 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2dly s VAL 58 CO 0.11 -0.03 0.08 -0.22 0.00 0.00 0.00 175.10 175.04 2dly s LEU 59 N -2.25 3.93 -0.42 3.92 2.96 0.31 -1.69 118.68 125.43 2dly s LEU 59 Ca 0.15 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2dly s LEU 59 Cb -0.09 -1.99 0.15 0.00 0.50 0.00 0.00 46.19 44.76 2dly s LEU 59 CO 0.07 0.20 0.27 -0.62 -1.32 0.00 0.00 176.35 174.95 2dly s ASP 60 N 0.22 2.98 -0.92 3.68 2.15 0.96 -1.00 116.67 124.74 2dly s ASP 60 Ca 0.05 -2.67 -0.02 0.00 0.43 0.00 0.00 52.55 50.34 2dly s ASP 60 Cb -0.12 -0.71 0.00 0.00 -0.30 0.00 0.00 42.92 41.79 2dly s ASP 60 CO -0.00 -0.25 0.30 -0.62 -0.17 0.00 0.00 175.17 174.43 2dly n GLU 61 N 3.44 -2.53 0.00 4.34 1.02 -1.26 -2.53 120.64 123.11 2dly n GLU 61 Ca 0.16 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 2dly n GLU 61 Cb 0.39 -4.62 0.00 0.00 -0.02 0.00 0.00 31.44 27.19 2dly n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dly n GLY 62 N -1.17 1.72 3.88 0.62 0.00 -1.26 -5.06 105.19 103.93 2dly n GLY 62 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2dly n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dly s VAL 63 N -2.39 4.92 -0.31 1.61 0.11 -1.05 -4.79 120.40 118.50 2dly s VAL 63 Ca 0.00 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2dly s VAL 63 Cb 0.00 -3.68 0.07 0.00 -1.53 0.00 0.00 36.38 31.23 2dly s VAL 63 CO 0.00 -0.27 -0.00 -0.69 -3.33 0.00 0.00 175.10 170.81 2dly s VAL 64 N -2.05 2.67 -0.45 2.04 1.01 -1.26 -0.03 120.40 122.34 2dly s VAL 64 Ca 0.47 -1.70 -0.22 0.00 0.00 0.00 0.00 61.98 60.54 2dly s VAL 64 Cb -0.11 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2dly s VAL 64 CO 0.26 -0.23 0.71 -0.54 0.00 0.00 0.00 175.10 175.30 2dly s LYS 65 N 1.14 3.33 -0.36 2.72 3.01 -0.68 -4.91 119.74 123.99 2dly s LYS 65 Ca -0.02 -0.27 -0.26 0.00 -1.01 0.00 0.00 55.97 54.40 2dly s LYS 65 Cb -0.20 -3.95 0.01 0.00 -1.01 0.00 0.00 37.83 32.68 2dly s LYS 65 CO -0.04 -1.07 0.95 -1.01 0.51 0.00 0.00 175.35 174.70 2dly s HIS 66 N 3.03 3.10 -0.26 3.18 3.76 -1.26 -3.20 115.29 123.64 2dly s HIS 66 Ca 0.26 0.87 -0.07 0.00 -0.15 0.00 0.00 55.06 55.96 2dly s HIS 66 Cb -0.13 -3.65 -0.02 0.00 1.11 0.00 0.00 32.58 29.89 2dly s HIS 66 CO 0.20 -0.81 0.07 0.71 -0.85 0.00 0.00 174.74 174.07 2dly s TYR 67 N 3.50 3.09 -0.20 1.40 2.02 -0.78 -4.97 117.35 121.42 2dly s TYR 67 Ca 0.40 -0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 56.29 2dly s TYR 67 Cb -0.12 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 2dly s TYR 67 CO 0.18 -0.40 1.66 0.50 -1.57 0.00 0.00 175.55 175.92 2dly s ARG 68 N 1.60 3.81 -0.77 -0.62 6.06 -1.26 -1.74 118.95 126.02 2dly s ARG 68 Ca 0.06 1.75 -0.22 0.00 -2.50 0.00 0.00 55.73 54.83 2dly s ARG 68 Cb -0.15 -4.05 0.09 0.00 0.06 0.00 0.00 34.95 30.89 2dly s ARG 68 CO 0.03 -1.28 1.06 0.42 -2.50 0.00 0.00 175.30 173.03 2dly s ILE 69 N 5.23 4.40 0.63 4.11 1.01 -0.73 -4.70 121.20 131.16 2dly s ILE 69 Ca 0.73 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 2dly s ILE 69 Cb -0.27 -4.75 -0.02 0.00 0.01 0.00 0.00 42.46 37.44 2dly s ILE 69 CO 0.30 -1.52 1.07 -0.13 0.00 0.00 0.00 174.94 174.66 2dly s ARG 70 N 3.75 3.10 0.06 2.79 1.81 -0.58 -3.85 118.95 126.03 2dly s ARG 70 Ca 0.27 1.18 0.05 0.00 -1.72 0.00 0.00 55.73 55.51 2dly s ARG 70 Cb -0.12 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.35 2dly s ARG 70 CO 0.03 -0.98 -0.13 1.03 -0.68 0.00 0.00 175.30 174.56 2dly s ARG 71 N -4.32 0.80 0.53 3.54 0.52 -1.26 -0.24 118.95 118.52 2dly s ARG 71 Ca 0.63 -0.87 0.09 0.00 -0.52 0.00 0.00 55.73 55.05 2dly s ARG 71 Cb -0.16 -0.77 0.09 0.00 0.52 0.00 0.00 34.95 34.62 2dly s ARG 71 CO 0.42 0.18 0.72 1.28 0.02 0.00 0.00 175.30 177.92 2dly n LEU 72 N 1.47 0.00 -0.16 2.53 7.99 -0.91 -4.99 117.00 122.93 2dly n LEU 72 Ca -0.21 -2.32 0.07 0.00 -0.01 0.00 0.00 56.01 53.54 2dly n LEU 72 Cb 0.54 -0.37 -0.05 0.00 -0.11 0.00 0.00 43.42 43.43 2dly n LEU 72 CO 0.22 -0.69 0.10 0.47 -1.51 0.00 0.00 177.39 175.97 2dly n ASP 73 N -2.36 1.08 0.00 -1.43 8.00 -1.26 -4.55 116.55 116.02 2dly n ASP 73 Ca 0.14 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.60 2dly n ASP 73 Cb 0.55 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dly n GLU 74 N -0.80 2.30 0.00 -1.24 0.28 -1.26 -5.05 120.64 114.87 2dly n GLU 74 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2dly n GLU 74 Cb 0.27 -0.91 0.00 0.00 1.43 0.00 0.00 31.44 32.23 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dly n GLY 75 N 2.33 0.59 0.00 -1.84 0.00 -1.26 -5.15 105.19 99.85 2dly n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dly n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dly n GLY 76 N 5.00 1.48 3.38 -0.02 0.00 -1.18 -4.84 105.19 109.01 2dly n GLY 76 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2dly n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dly s PHE 77 N 0.93 2.03 -0.28 1.61 0.40 -1.12 -2.13 117.98 119.42 2dly s PHE 77 Ca 0.00 -0.42 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 2dly s PHE 77 Cb 0.00 -0.98 0.09 0.00 0.51 0.00 0.00 43.02 42.63 2dly s PHE 77 CO 0.00 0.44 0.70 -0.59 0.70 0.00 0.00 175.22 176.48 2dly s PHE 78 N -2.07 -1.06 -0.66 0.36 -0.12 0.67 -0.10 117.98 114.99 2dly s PHE 78 Ca 0.20 2.10 0.24 0.00 -0.05 0.00 0.00 56.93 59.42 2dly s PHE 78 Cb -0.06 0.64 0.42 0.00 -0.63 0.00 0.00 43.02 43.38 2dly s PHE 78 CO 0.09 -0.53 1.39 -0.11 -0.05 0.00 0.00 175.22 176.01 2dly n LEU 79 N 4.38 0.72 -3.66 -1.99 7.94 -1.26 -1.53 117.00 121.59 2dly n LEU 79 Ca -0.19 0.28 -0.08 0.00 -1.11 0.00 0.00 56.01 54.91 2dly n LEU 79 Cb 0.58 -0.20 -0.08 0.00 0.53 0.00 0.00 43.42 44.24 2dly n LEU 79 CO -0.02 -0.07 0.15 0.28 -1.11 0.00 0.00 177.39 176.61 2dly s THR 80 N -3.16 -0.35 0.62 1.96 -1.32 -1.25 -4.86 115.64 107.28 2dly s THR 80 Ca 0.07 0.08 0.20 0.00 -1.21 0.00 0.00 61.69 60.82 2dly s THR 80 Cb 0.13 -0.78 0.27 0.00 -1.51 0.00 0.00 72.50 70.62 2dly s THR 80 CO 0.70 0.03 1.33 -0.09 -2.21 0.00 0.00 174.62 174.38 2dly h ARG 81 N 7.54 0.00 -0.30 7.08 9.65 -2.01 0.81 114.38 137.14 2dly h ARG 81 Ca -0.26 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.57 2dly h ARG 81 Cb 1.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2dly h ARG 81 CO 0.18 0.00 0.02 0.00 2.80 0.00 0.00 179.97 182.97 2dly h ARG 82 N 0.00 0.52 -6.44 0.20 2.47 -1.99 -3.44 114.38 105.70 2dly h ARG 82 Ca 0.29 -0.16 -0.61 0.00 -1.26 0.00 0.00 59.98 58.24 2dly h ARG 82 Cb 2.30 -0.05 -0.22 0.00 -1.65 0.00 0.00 29.97 30.35 2dly h ARG 82 CO -0.00 0.65 -0.84 0.21 0.56 0.00 0.00 179.97 180.55 2dly s LYS 83 N -5.05 1.24 0.01 0.04 2.47 0.28 -5.15 119.74 113.58 2dly s LYS 83 Ca -0.13 -1.22 -0.02 0.00 -1.56 0.00 0.00 55.97 53.03 2dly s LYS 83 Cb 0.08 -1.58 -0.01 0.00 -1.46 0.00 0.00 37.83 34.86 2dly s LYS 83 CO 0.76 0.37 0.03 0.08 0.16 0.00 0.00 175.35 176.75 2dly s VAL 84 N -1.11 0.09 0.34 4.02 1.01 -1.26 -3.92 120.40 119.58 2dly s VAL 84 Ca 0.09 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2dly s VAL 84 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 2dly s VAL 84 CO 0.05 -0.42 0.05 0.49 0.00 0.00 0.00 175.10 175.27 2dly n PHE 85 N 1.70 0.51 -0.10 5.22 3.72 0.85 -5.00 117.46 124.36 2dly n PHE 85 Ca -0.22 -1.88 -0.20 0.00 -0.05 0.00 0.00 57.45 55.10 2dly n PHE 85 Cb 0.56 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 2dly n PHE 85 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dly n SER 86 N -1.43 1.48 -4.16 4.37 7.64 -1.26 -2.77 113.62 117.48 2dly n SER 86 Ca -0.10 0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.83 2dly n SER 86 Cb 0.46 -0.54 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 2dly n SER 86 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dly s THR 87 N -2.35 0.91 0.58 0.44 -4.23 -1.26 -4.05 115.64 105.67 2dly s THR 87 Ca -0.27 -1.56 0.36 0.00 -1.18 0.00 0.00 61.69 59.04 2dly s THR 87 Cb 0.10 -1.27 0.52 0.00 1.34 0.00 0.00 72.50 73.20 2dly s THR 87 CO 0.35 -0.52 1.60 -0.07 -0.54 0.00 0.00 174.62 175.44 2dly h LEU 88 N 3.71 0.00 0.47 4.79 3.38 -1.97 -0.64 115.31 125.04 2dly h LEU 88 Ca -0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2dly h LEU 88 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2dly h LEU 88 CO 0.51 0.00 -0.22 -1.13 0.09 0.00 0.00 178.44 177.68 2dly h ASN 89 N 0.00 -0.53 0.09 -0.43 -0.73 -2.00 -2.63 115.58 109.35 2dly h ASN 89 Ca 0.58 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.77 2dly h ASN 89 Cb 2.69 0.14 -0.00 0.00 0.27 0.00 0.00 38.32 41.42 2dly h ASN 89 CO -0.01 -0.37 -0.01 -0.33 -0.37 0.00 0.00 177.43 176.34 2dly h GLU 90 N -0.63 0.00 -0.79 6.67 5.08 -1.56 0.22 114.58 123.57 2dly h GLU 90 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2dly h GLU 90 Cb 0.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2dly h GLU 90 CO 0.10 0.01 0.34 0.35 -1.00 0.00 0.00 179.01 178.82 2dly h PHE 91 N 0.00 1.17 0.10 4.33 3.04 -1.05 -2.43 116.94 122.10 2dly h PHE 91 Ca -0.00 -0.08 -0.37 0.00 3.98 0.00 0.00 57.97 61.51 2dly h PHE 91 Cb 0.06 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.19 2dly h PHE 91 CO 0.00 0.88 -2.07 0.28 -2.02 0.00 0.00 178.31 175.38 2dly n VAL 92 N -4.32 1.72 0.26 1.41 0.31 -0.74 -3.79 118.33 113.19 2dly n VAL 92 Ca 0.07 -0.65 0.15 0.00 -0.01 0.00 0.00 64.34 63.90 2dly n VAL 92 Cb 0.17 -1.63 0.83 0.00 -0.91 0.00 0.00 33.84 32.30 2dly n VAL 92 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2dly h ASN 93 N 0.06 0.00 0.00 4.52 2.35 -1.00 -1.67 115.58 119.84 2dly h ASN 93 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2dly h ASN 93 Cb 2.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.39 2dly h ASN 93 CO 0.06 0.00 -0.22 0.22 -1.65 0.00 0.00 177.43 175.84 2dly h TYR 94 N 0.00 0.00 -0.89 1.19 3.20 -1.57 -3.39 116.97 115.51 2dly h TYR 94 Ca 0.00 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 2dly h TYR 94 Cb 0.24 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.38 2dly h TYR 94 CO 0.00 0.00 0.37 1.88 -1.64 0.00 0.00 178.16 178.77 2dly h TYR 95 N -0.62 0.60 -0.76 -3.82 0.05 -1.61 0.27 116.97 111.08 2dly h TYR 95 Ca 0.00 0.04 0.22 0.00 0.05 0.00 0.00 58.73 59.04 2dly h TYR 95 Cb 0.22 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 2dly h TYR 95 CO -0.09 -0.09 1.07 1.79 -1.05 0.00 0.00 178.16 179.79 2dly h THR 96 N 0.36 0.04 0.07 -2.88 1.35 -1.44 1.41 112.91 111.82 2dly h THR 96 Ca 0.56 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 66.08 2dly h THR 96 Cb 1.09 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 2dly h THR 96 CO -0.55 0.00 -1.93 0.35 -0.25 0.00 0.00 175.52 173.14 2dly n THR 97 N -3.16 1.70 -3.66 6.82 -2.24 0.95 -4.84 114.28 109.84 2dly n THR 97 Ca 0.17 -0.71 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 2dly n THR 97 Cb 1.30 -1.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.00 2dly n THR 97 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dly s THR 98 N -2.57 -0.01 0.25 4.28 -1.32 0.48 -5.04 115.64 111.71 2dly s THR 98 Ca -0.16 0.04 -0.04 0.00 -1.21 0.00 0.00 61.69 60.32 2dly s THR 98 Cb 0.07 -0.83 0.24 0.00 -1.51 0.00 0.00 72.50 70.47 2dly s THR 98 CO 0.78 0.02 1.69 0.77 -2.21 0.00 0.00 174.62 175.67 2dly h SER 99 N 6.95 0.05 -3.67 8.08 4.64 -1.86 -3.37 113.55 124.37 2dly h SER 99 Ca -0.33 0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 60.98 2dly h SER 99 Cb 1.21 0.19 0.08 0.00 -0.31 0.00 0.00 62.40 63.56 2dly h SER 99 CO 0.21 -0.03 -0.36 -0.67 -0.87 0.00 0.00 176.83 175.11 2dly n ASP 100 N -5.14 -2.37 0.00 4.97 2.03 -1.26 -3.19 116.55 111.59 2dly n ASP 100 Ca 0.15 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2dly n ASP 100 Cb 0.48 -2.70 0.00 0.00 -0.72 0.00 0.00 41.12 38.18 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dly n GLY 101 N -1.09 0.80 3.75 0.27 0.00 -1.26 -5.03 105.19 102.63 2dly n GLY 101 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2dly n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dly s LEU 102 N 0.00 4.44 0.25 0.99 1.43 -1.19 -4.93 118.68 119.67 2dly s LEU 102 Ca 0.00 1.40 0.12 0.00 -1.03 0.00 0.00 54.13 54.61 2dly s LEU 102 Cb 0.00 -3.18 0.85 0.00 0.03 0.00 0.00 46.19 43.89 2dly s LEU 102 CO 0.00 0.02 1.11 0.00 0.23 0.00 0.00 176.35 177.71 2dly s VAL 104 N -5.19 0.10 -0.13 0.00 0.11 -1.26 -5.13 120.40 108.90 2dly s VAL 104 Ca -0.07 -0.83 -0.22 0.00 -2.93 0.00 0.00 61.98 57.93 2dly s VAL 104 Cb 0.23 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2dly s VAL 104 CO 0.55 -0.46 0.68 -0.75 -3.33 0.00 0.00 175.10 171.79 2dly s LYS 105 N -2.24 4.34 -0.17 1.54 2.20 -1.26 -4.76 119.74 119.38 2dly s LYS 105 Ca -0.08 0.78 -0.33 0.00 -0.36 0.00 0.00 55.97 55.98 2dly s LYS 105 Cb -0.03 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 2dly s LYS 105 CO -0.02 -0.09 2.01 1.28 -0.36 0.00 0.00 175.35 178.18 2dly n LEU 106 N 4.40 3.12 -0.11 5.43 4.77 -1.26 -4.84 117.00 128.50 2dly n LEU 106 Ca -0.01 0.71 -0.19 0.00 -0.03 0.00 0.00 56.01 56.49 2dly n LEU 106 Cb 0.50 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 2dly n LEU 106 CO 0.46 -0.32 -1.02 -0.62 -1.33 0.00 0.00 177.39 174.56 2dly n GLU 107 N 7.39 0.56 -3.97 3.23 -0.58 -1.24 -4.03 120.64 121.99 2dly n GLU 107 Ca 0.28 0.26 -0.09 0.00 -0.42 0.00 0.00 57.16 57.20 2dly n GLU 107 Cb 0.31 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.60 2dly n GLU 107 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2dly s LYS 108 N -2.68 0.54 0.94 3.49 -2.85 -1.26 -5.05 119.74 112.88 2dly s LYS 108 Ca -0.33 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 53.70 2dly s LYS 108 Cb 0.09 0.20 0.15 0.00 -2.06 0.00 0.00 37.83 36.22 2dly s LYS 108 CO 0.46 -0.12 1.09 -1.25 0.10 0.00 0.00 175.35 175.63 2dly s PRO 109 N -2.65 0.90 0.31 1.78 0.04 -1.26 -1.48 135.00 132.64 2dly s PRO 109 Ca -0.05 0.69 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 2dly s PRO 109 Cb -0.01 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 2dly s PRO 109 CO -0.05 -2.45 0.96 0.00 0.04 0.00 0.00 177.00 175.50 2dly s LEU 111 N -1.86 3.25 -0.29 0.00 1.43 -1.26 -4.50 118.68 115.45 2dly s LEU 111 Ca 0.48 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 2dly s LEU 111 Cb -0.21 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.55 2dly s LEU 111 CO 0.27 -1.56 -0.04 -0.54 0.23 0.00 0.00 176.35 174.70 2dly s LYS 112 N -4.57 2.21 0.27 1.70 1.02 -1.26 -4.92 119.74 114.20 2dly s LYS 112 Ca 0.62 -1.40 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 2dly s LYS 112 Cb -0.17 -3.05 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 2dly s LYS 112 CO 0.48 -0.65 0.98 0.42 -0.92 0.00 0.00 175.35 175.67 2dly s ILE 113 N 1.13 3.93 -0.04 2.17 -1.09 -1.26 -5.06 121.20 120.99 2dly s ILE 113 Ca -0.05 1.87 0.06 0.00 -2.23 0.00 0.00 60.65 60.31 2dly s ILE 113 Cb -0.20 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 2dly s ILE 113 CO -0.04 0.39 -0.22 -1.10 -1.23 0.00 0.00 174.94 172.74 2dly s GLN 114 N -1.43 2.07 0.07 2.79 -0.21 -1.26 -5.02 119.66 116.67 2dly s GLN 114 Ca 0.44 -0.81 0.18 0.00 0.02 0.00 0.00 55.36 55.19 2dly s GLN 114 Cb -0.26 -1.87 -0.12 0.00 1.00 0.00 0.00 33.01 31.76 2dly s GLN 114 CO 0.33 0.41 0.83 1.33 -2.12 0.00 0.00 175.29 176.07 2dly n VAL 115 N 2.78 1.10 -0.01 1.09 0.24 -1.26 -4.69 118.33 117.59 2dly n VAL 115 Ca -0.17 -0.67 -0.02 0.00 -2.04 0.00 0.00 64.34 61.44 2dly n VAL 115 Cb 0.52 -0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 2dly n VAL 115 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2dly n SER 116 N -2.85 0.96 0.00 -1.34 2.88 -1.26 -5.15 113.62 106.86 2dly n SER 116 Ca -0.09 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2dly n SER 116 Cb 0.80 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2dly n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dly n GLY 117 N 2.64 0.54 3.59 0.46 0.00 -1.26 -4.99 105.19 106.16 2dly n GLY 117 Ca -0.04 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 2dly n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dly s PRO 118 N -0.19 3.19 0.42 1.61 0.04 -1.26 -4.98 135.00 133.83 2dly s PRO 118 Ca 0.00 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.21 2dly s PRO 118 Cb 0.00 -4.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.25 2dly s PRO 118 CO 0.00 -2.04 0.01 -1.54 0.04 0.00 0.00 177.00 173.47 2dly s SER 119 N 6.22 3.84 0.15 6.66 1.04 -1.26 -5.16 113.70 125.19 2dly s SER 119 Ca 0.73 -1.41 0.10 0.00 0.48 0.00 0.00 55.95 55.85 2dly s SER 119 Cb -0.18 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2dly s SER 119 CO 0.30 -0.51 -0.24 -0.55 0.98 0.00 0.00 173.24 173.21 2dly s SER 120 N -3.72 3.15 0.00 7.02 0.15 -1.26 -5.29 113.70 113.74 2dly s SER 120 Ca 0.31 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2dly s SER 120 Cb 0.09 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2dly s SER 120 CO 0.16 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.33